Geometry & MOs

Info

ID:	54244
PubChem CID:	16956663
Reduced:	ClON4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	43.77
Dipole, Da:	0.99
IP(EA), eV:	-8.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC3=NC=CN(C3=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations